2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid

C20H20FN3O3 — CID 110165516

IUPAC2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid
SMILESCCn1c(C)nc2cc(C(=O)N(CC(=O)O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C20H20FN3O3/c1-3-24-13(2)22-17-10-15(6-9-18(17)24)20(27)23(12-19(25)26)11-14-4-7-16(21)8-5-14/h4-10H,3,11-12H2,1-2H3,(H,25,26)
InChIKeyURIHEUHDUSDLCH-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.23
Rot. Bonds6

About 2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid

2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid (PubChem CID 110165516) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid
PubChem CID110165516
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid
SMILESCCn1c(C)nc2cc(C(=O)N(CC(=O)O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C20H20FN3O3/c1-3-24-13(2)22-17-10-15(6-9-18(17)24)20(27)23(12-19(25)26)11-14-4-7-16(21)8-5-14/h4-10H,3,11-12H2,1-2H3,(H,25,26)
InChIKeyURIHEUHDUSDLCH-UHFFFAOYSA-N
XLogP3.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl-(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]acetic acid
CID 155988172
2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid
CID 110165667
2-[(1-benzyl-2-methylbenzimidazole-5-carbonyl)-[(4-bromo-2-fluorophenyl)methyl]amino]acetic acid
CID 110165651
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
N,N-dibenzyl-1,2-dimethylbenzimidazole-5-carboxamide
CID 100776245
3-[2-(3-chlorophenyl)ethyl-(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]propanoic acid
CID 110165481
2-[2-(3-fluorophenyl)ethyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid
CID 110165411
2-bromo-1-(1-ethyl-2-methylbenzimidazol-5-yl)ethanone
CID 87941694
1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
CID 26682519
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131952394
cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
CID 82494804
1-ethyl-N'-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
CID 46589011

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid (CID 110165516) is 2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid is CCn1c(C)nc2cc(C(=O)N(CC(=O)O)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid?
The InChIKey is URIHEUHDUSDLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-3-24-13(2)22-17-10-15(6-9-18(17)24)20(27)23(12-19(25)26)11-14-4-7-16(21)8-5-14/h4-10H,3,11-12H2,1-2H3,(H,25,26).
What are the key properties of 2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid?
2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid has a molecular weight of 369.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)-[(4-fluorophenyl)methyl]amino]acetic acid is sourced from PubChem (CID 110165516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).